Journal of molecular electronics最新文献

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A weak coupling theory for La2CuO4: Ln2 parquet approach La2CuO4: Ln2复合材料的弱耦合理论

Journal of molecular electronics Pub Date : 1988-10-01 DOI: 10.1142/S0217979288000494

I. Dzyaloshinskiǐ, V. Yakovenko

引用次数: 7

Localized states in anthrylpolyenes : influence of geometry 蒽多烯的定域态:几何的影响

Journal of molecular electronics Pub Date : 1900-01-01 DOI: 10.18419/OPUS-1152

B. Heine, E. Sigmund, S. Maier, H. Port, H. Wolf, F. Effenberger, H. Schlosser

{"title":"Localized states in anthrylpolyenes : influence of geometry","authors":"B. Heine, E. Sigmund, S. Maier, H. Port, H. Wolf, F. Effenberger, H. Schlosser","doi":"10.18419/OPUS-1152","DOIUrl":"https://doi.org/10.18419/OPUS-1152","url":null,"abstract":"Combining group theoretical arguments and (extended) Huckel calculations. it is shown that terminally anthryl-substituted polyenes exhibit states almost completely localized at the substituents. These localized states are related to characteristic optical transitions in anthracene which also are observed in anthrylpolyenes independent of the length of the polyene chain. substituents. I • 2 For anthrylpolyenes, characteristic changes in the absorption spectra depending on the substitution position of the anthracene have been observed. Further experimental details are presented and related to theory. In the next section the electronic states and their localization behaviour for the anthracene molecule are con sidered. We calculate the energy and eigenstates of the system in the Huckel approximation and show that from a group theoretical point of view this 0748-7891/90/010051-10 $05.00 :£' 1990 by John Wiley & Sons, Lid. treatment is sufficient for a qualitative description of the observed phenomena. Then the whole molecule is calculated in the Huckel approxima tion and the localization behaviour of the eigen functions for different coupling points of the chain to the anthracene is discussed. The two subsequent sections summarize the results of an extended Huckel calculation and show the in fluence of the geometry on energy and eigenvec tors of the molecule. A closer inspection using a more involved MNDO calculation shows that the geometry of the molecule under investigation is already predicted correctly within the framework of extended Huckel calculations, thus allowing us to restrict ourselves in the present context to this easier and more transparent approach. In the Experimental and Results sections absorption spectra of anthrylpolyene with variable length of the polyene chain are discussed with respect to the theory.","PeriodicalId":178934,"journal":{"name":"Journal of molecular electronics","volume":"3 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"129699004","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 2

Stability of organic thin films on inorganic substrates: prototype studies using metal phthalocyanines 无机衬底上有机薄膜的稳定性:使用金属酞菁的原型研究

Journal of molecular electronics Pub Date : 1900-01-01 DOI: 10.18419/OPUS-7050

A. Rager, B. Gompf, L. Dürselen, H. Mockert, D. Schmeißer, W. Göpel

{"title":"Stability of organic thin films on inorganic substrates: prototype studies using metal phthalocyanines","authors":"A. Rager, B. Gompf, L. Dürselen, H. Mockert, D. Schmeißer, W. Göpel","doi":"10.18419/OPUS-7050","DOIUrl":"https://doi.org/10.18419/OPUS-7050","url":null,"abstract":"Thin films of metal phthalocyanines (PbPc and RuPc) on Inorganic substrates lAg. Pt. Cu, Au. Alz0 3 and Ag!) In the submonolayer and monolaye, range were Investigated. Their chemical compositions and electronic and dynamic structures were characterized by means of photoemission and vibrational spectroscopy, with particular emphasis on the influence of the filmJsubstrate and film/gas phase interfaces. The results Indicate that RuPc surfaces are always unstable In air because of an energetically favourable oxlda formation involving the central (Ru) atom. Lead phthalocyanina is more stable. lead oxides ere formed only after exposing thin films prepared under urtra-hlgh vacuum to pure oxygen. Even for PbPc. decomposition was observed at certain substrate/film Interfaces: orgenlc fragments were found In the submonolayer fange on platinum substrates. an exchange of the central atom on coppe, substrates and catalytic dacompositlon of organic films on gold substrateS aftar storaga in ai,. Chemically perfect films without decomposition were found on AI:z0 3 • Agi and Ag substrates. The results are discussed by taking Into account the energetic structure of Interfacial electronic states.","PeriodicalId":178934,"journal":{"name":"Journal of molecular electronics","volume":"14 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"126534281","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 13